7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione

C20H28N2O5 — CID 85108995

IUPAC7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione
SMILESO=C1NC(=O)C2C1C1OC3CCCCC3OC1C1NC3CCC(O)CC3C12
InChIInChI=1S/C20H28N2O5/c23-8-5-6-10-9(7-8)13-14-15(20(25)22-19(14)24)17-18(16(13)21-10)27-12-4-2-1-3-11(12)26-17/h8-18,21,23H,1-7H2,(H,22,24,25)
InChIKeyMPVZCGGKRVKXDY-UHFFFAOYSA-N
MW376.45 g/mol
LogP0.10
Rot. Bonds

About 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione

7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione (PubChem CID 85108995) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione.

Molecular Properties

Compound Name7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione
PubChem CID85108995
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione
SMILESO=C1NC(=O)C2C1C1OC3CCCCC3OC1C1NC3CCC(O)CC3C12
InChIInChI=1S/C20H28N2O5/c23-8-5-6-10-9(7-8)13-14-15(20(25)22-19(14)24)17-18(16(13)21-10)27-12-4-2-1-3-11(12)26-17/h8-18,21,23H,1-7H2,(H,22,24,25)
InChIKeyMPVZCGGKRVKXDY-UHFFFAOYSA-N
XLogP0.10
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione?
The IUPAC name of 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione (CID 85108995) is 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione.
What is the SMILES notation for 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione?
The canonical SMILES for 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione is O=C1NC(=O)C2C1C1OC3CCCCC3OC1C1NC3CCC(O)CC3C12.
What is the InChIKey of 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione?
The InChIKey is MPVZCGGKRVKXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c23-8-5-6-10-9(7-8)13-14-15(20(25)22-19(14)24)17-18(16(13)21-10)27-12-4-2-1-3-11(12)26-17/h8-18,21,23H,1-7H2,(H,22,24,25).
What are the key properties of 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione?
7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione has a molecular weight of 376.45 g/mol, XLogP of 0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione is sourced from PubChem (CID 85108995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).